5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole

C23H25N5O2 — CID 11761244

IUPAC5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(CCCCCc2nn[nH]n2)cc1
InChIInChI=1S/C23H25N5O2/c1-17-21(24-23(30-17)19-9-5-3-6-10-19)16-29-20-14-12-18(13-15-20)8-4-2-7-11-22-25-27-28-26-22/h3,5-6,9-10,12-15H,2,4,7-8,11,16H2,1H3,(H,25,26,27,28)
InChIKeyAADNKIUZFDKBMQ-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.70
Rot. Bonds10

About 5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole

5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole (PubChem CID 11761244) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole
PubChem CID11761244
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1COc1ccc(CCCCCc2nn[nH]n2)cc1
InChIInChI=1S/C23H25N5O2/c1-17-21(24-23(30-17)19-9-5-3-6-10-19)16-29-20-14-12-18(13-15-20)8-4-2-7-11-22-25-27-28-26-22/h3,5-6,9-10,12-15H,2,4,7-8,11,16H2,1H3,(H,25,26,27,28)
InChIKeyAADNKIUZFDKBMQ-UHFFFAOYSA-N
XLogP4.70
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-phenyl-4-[[3-[3-(2H-tetrazol-5-yl)propyl]-2-benzofuran-5-yl]oxymethyl]-1,3-oxazole
CID 70283586
3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propyl methanesulfonate
CID 87956133
5-methyl-2-phenyl-4-[2-[[5-[2-(2H-tetrazol-5-yl)ethyl]-2-pyridinyl]oxy]ethyl]-1,3-oxazole
CID 10937674
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
(1R)-1-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]ethanamine
CID 142052737
2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 22344648
(2Z)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-2-phenylacetic acid
CID 11059278
4-[5-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]pentyl]-1,3-oxazolidine-2,5-dione
CID 18546152
(E)-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]prop-2-enal
CID 10980111
(2E)-2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]propanoic acid
CID 10992528
4-[[4-[[4-(3-iodopropyl)-3-phenylpyrazol-1-yl]methyl]phenoxy]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 23024979
2-[1-ethoxy-3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propoxy]benzoic acid
CID 68882836

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole (CID 11761244) is 5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole is Cc1oc(-c2ccccc2)nc1COc1ccc(CCCCCc2nn[nH]n2)cc1.
What is the InChIKey of 5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole?
The InChIKey is AADNKIUZFDKBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17-21(24-23(30-17)19-9-5-3-6-10-19)16-29-20-14-12-18(13-15-20)8-4-2-7-11-22-25-27-28-26-22/h3,5-6,9-10,12-15H,2,4,7-8,11,16H2,1H3,(H,25,26,27,28).
What are the key properties of 5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole?
5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole has a molecular weight of 403.49 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-phenyl-4-[[4-[5-(2H-tetrazol-5-yl)pentyl]phenoxy]methyl]-1,3-oxazole is sourced from PubChem (CID 11761244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).